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Acyclovir hydrochloride

CAT: 0013-GTR19238651-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238651-01Size:50 mg
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Description
Acyclovir hydrochloride is a potent antiviral small molecule with in vitro IC50 values of 0.85 μM (HSV-1) and 0.86 μM (HSV-2) . It is widely used in research to study herpesvirus inhibition, apoptosis induction, and cell cycle effects in both cellular and animal models.
CAS Number
1628039-62-2
Field of Research
Cell Biology, Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
Cl.O=C1N=C (N) NC2=C1N=CN2COCCO
Molecular Formula
C8H12ClN5O3
Molecular Weight
261.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Acyclovir hydrochloride
CAS Number1628039-62-2
PubChem CID135576278
IUPAC Name2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one;hydrochloride
Molecular FormulaC8H12ClN5O3
Molecular Weight261.66
Topological Polar Surface Area115
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity308
SMILES
C1=NC2=C(N1COCCO)N=C(NC2=O)N.Cl
InChI
InChI=1S/C8H11N5O3.ClH/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14;/h3,14H,1-2,4H2,(H3,9,11,12,15);1H
InChIKey
HXKKMVNECDENPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acyclovir hydrochloride
CAS: 1628039-62-2
CID: 135576278
Formula: C8H12ClN5O3
MW: 261.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.66
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass261.0628670
Monoisotopic Mass261.0628670
Topological Polar Surface Area115 Ų
Heavy Atom Count17
Formal Charge0
Complexity308
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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